{
  "abstract": "Deciphering the functional roles of G protein-coupled receptors (GPCRs) oligomers requires defining their structural organization, which remains a challenge due to the inherent flexibility of their 7 transmembrane (TM) domains. Here, we focused on determining homodimer interfaces of the chemokine receptor CCR2, a major component of the inflammatory response, for which no antagonist has yet been approved. We generated models of CCR2 homodimers combining homology modeling, a conventional in silico approach, or an AI-based AlphaFold-Multimer predictions, with molecular dynamics simulations. We determined the biological relevance of our predicted models by in cellulo cross-linking experiments, introducing a cysteine in each predicted interface. This in cellulo assay supported the homology modeling predictions, but not those predicted by AlphaFold-Multimer, and demonstrated that CCR2 forms homodimers by at least two different interfaces involving the transmembrane domains TM5 (I 5 ) or TM5 and TM6 (I 56 ). This structural arrangement of the CCR2 homodimer represents a valuable model for further studies on the functional consequences of dimerization and for the rational design of CCR2-selective drugs.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 7,
  "authors": [
    {
      "name": "Lauri Urvas"
    },
    {
      "name": "Amaia Nuñez-Delmoral"
    },
    {
      "name": "Célien Jacquemard"
    },
    {
      "name": "Margaux Bilay"
    },
    {
      "name": "Jost Enninga"
    },
    {
      "name": "Anne Brelot"
    },
    {
      "name": "Esther Kellenberger"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/56cgk1azapqh2.bib",
  "cited_by": 0,
  "doi": "10.1016/j.jmb.2026.170013",
  "fulltext_url": null,
  "id": "56cgk1azapqh2",
  "issns": [
    "0022-2836",
    "1089-8638"
  ],
  "landing_url": "https://pasteur.hal.science/pasteur-05856390v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.sdv"
    ],
    [
      "openalex",
      "1312|Receptor Mechanisms and Signaling"
    ]
  ],
  "openalex": "W7167690791",
  "pdf_url": "https://pasteur.hal.science/pasteur-05856390/document",
  "pmcid": null,
  "pmid": "42700840",
  "published": "2026-11-08",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/56cgk1azapqh2.ris",
  "sources": [
    {
      "first_seen": "2026-11-09T12:20:29Z",
      "native_id": "pasteur-05856390",
      "source": "hal",
      "url": "https://pasteur.hal.science/pasteur-05856390v1"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "openalex:1312|Receptor Mechanisms and Signaling",
      "subfield": "molecular-biology"
    }
  ],
  "title": "Characterizing CCR2 Homodimers Using Homology-derived and AI-predicted Interfaces",
  "title_text": "Characterizing CCR2 Homodimers Using Homology-derived and AI-predicted Interfaces",
  "type": "peer-reviewed",
  "updated_at": "2026-11-09T12:20:29Z",
  "url": "https://research.draconitic.com/paper/56cgk1azapqh2",
  "venue": "Journal of Molecular Biology",
  "versions": []
}